USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0017) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc=-0.00188 (180deg=-0.149) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A 3 -6.375 -10.472 -3.731 1.00 0.00 N ATOM 20 CA ARG A 3 -5.297 -10.173 -2.804 1.00 0.00 C ATOM 21 C ARG A 3 -4.486 -8.974 -3.300 1.00 0.00 C ATOM 22 O ARG A 3 -4.375 -7.965 -2.606 1.00 0.00 O ATOM 23 CB ARG A 3 -4.365 -11.375 -2.637 1.00 0.00 C ATOM 24 CG ARG A 3 -4.493 -11.977 -1.236 1.00 0.00 C ATOM 25 CD ARG A 3 -5.438 -13.181 -1.242 1.00 0.00 C ATOM 26 NE ARG A 3 -4.719 -14.386 -1.712 1.00 0.00 N ATOM 27 CZ ARG A 3 -5.282 -15.597 -1.832 1.00 0.00 C ATOM 28 NH1 ARG A 3 -6.572 -15.771 -1.519 1.00 0.00 N ATOM 29 NH2 ARG A 3 -4.553 -16.634 -2.267 1.00 0.00 N ATOM 0 HA ARG A 3 -5.746 -9.938 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.603 -12.131 -3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.334 -11.067 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.511 -12.283 -0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.865 -11.221 -0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.831 -13.350 -0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.291 -12.981 -1.890 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.734 -14.289 -1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.128 -14.982 -1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.999 -16.693 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.570 -16.502 -2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.981 -17.555 -2.358 1.00 0.00 H new ATOM 43 N VAL A 4 -3.941 -9.124 -4.499 1.00 0.00 N ATOM 44 CA VAL A 4 -3.145 -8.066 -5.097 1.00 0.00 C ATOM 45 C VAL A 4 -4.073 -7.053 -5.771 1.00 0.00 C ATOM 46 O VAL A 4 -4.117 -5.889 -5.377 1.00 0.00 O ATOM 47 CB VAL A 4 -2.116 -8.665 -6.057 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.306 -7.566 -6.749 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.195 -9.649 -5.331 1.00 0.00 C ATOM 0 H VAL A 4 -4.035 -9.963 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.583 -7.532 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.658 -9.217 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.582 -8.019 -7.426 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.978 -6.921 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.781 -6.974 -5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.473 -10.060 -6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.666 -9.130 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.789 -10.458 -4.907 1.00 0.00 H new ATOM 59 N LYS A 5 -4.792 -7.534 -6.774 1.00 0.00 N ATOM 60 CA LYS A 5 -5.716 -6.685 -7.506 1.00 0.00 C ATOM 61 C LYS A 5 -6.490 -5.810 -6.518 1.00 0.00 C ATOM 62 O LYS A 5 -6.329 -4.590 -6.506 1.00 0.00 O ATOM 63 CB LYS A 5 -6.614 -7.529 -8.414 1.00 0.00 C ATOM 64 CG LYS A 5 -6.820 -8.929 -7.834 1.00 0.00 C ATOM 65 CD LYS A 5 -5.872 -9.938 -8.486 1.00 0.00 C ATOM 66 CE LYS A 5 -6.642 -11.140 -9.033 1.00 0.00 C ATOM 67 NZ LYS A 5 -6.312 -11.363 -10.459 1.00 0.00 N ATOM 0 H LYS A 5 -4.753 -8.501 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.172 -6.013 -8.169 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.579 -7.037 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.167 -7.604 -9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.651 -8.909 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.852 -9.242 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.322 -9.456 -9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.136 -10.275 -7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.397 -12.030 -8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.714 -10.973 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.844 -12.183 -10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.568 -10.519 -11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.292 -11.544 -10.555 1.00 0.00 H new ATOM 81 N ALA A 6 -7.313 -6.467 -5.714 1.00 0.00 N ATOM 82 CA ALA A 6 -8.112 -5.764 -4.724 1.00 0.00 C ATOM 83 C ALA A 6 -7.239 -4.728 -4.012 1.00 0.00 C ATOM 84 O ALA A 6 -7.741 -3.712 -3.534 1.00 0.00 O ATOM 85 CB ALA A 6 -8.728 -6.774 -3.754 1.00 0.00 C ATOM 0 H ALA A 6 -7.444 -7.478 -5.728 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.933 -5.230 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.327 -6.247 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.362 -7.468 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.934 -7.328 -3.253 1.00 0.00 H new ATOM 91 N LEU A 7 -5.948 -5.022 -3.965 1.00 0.00 N ATOM 92 CA LEU A 7 -5.001 -4.129 -3.320 1.00 0.00 C ATOM 93 C LEU A 7 -4.625 -3.005 -4.288 1.00 0.00 C ATOM 94 O LEU A 7 -4.801 -1.828 -3.976 1.00 0.00 O ATOM 95 CB LEU A 7 -3.798 -4.914 -2.793 1.00 0.00 C ATOM 96 CG LEU A 7 -3.679 -5.016 -1.271 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.691 -3.629 -0.626 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.766 -5.926 -0.696 1.00 0.00 C ATOM 0 H LEU A 7 -5.536 -5.866 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.454 -3.660 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.840 -5.923 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.890 -4.451 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.718 -5.473 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.605 -3.730 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.852 -3.045 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.625 -3.122 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.659 -5.981 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.747 -5.522 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.667 -6.925 -1.122 1.00 0.00 H new ATOM 110 N GLU A 8 -4.115 -3.407 -5.443 1.00 0.00 N ATOM 111 CA GLU A 8 -3.714 -2.448 -6.458 1.00 0.00 C ATOM 112 C GLU A 8 -4.682 -1.264 -6.482 1.00 0.00 C ATOM 113 O GLU A 8 -4.278 -0.133 -6.745 1.00 0.00 O ATOM 114 CB GLU A 8 -3.624 -3.112 -7.834 1.00 0.00 C ATOM 115 CG GLU A 8 -2.251 -2.878 -8.467 1.00 0.00 C ATOM 116 CD GLU A 8 -2.321 -1.793 -9.542 1.00 0.00 C ATOM 117 OE1 GLU A 8 -3.075 -2.007 -10.516 1.00 0.00 O ATOM 118 OE2 GLU A 8 -1.620 -0.773 -9.367 1.00 0.00 O ATOM 0 H GLU A 8 -3.970 -4.384 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.722 -2.075 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.806 -4.182 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.402 -2.713 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.537 -2.587 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.886 -3.807 -8.906 1.00 0.00 H new ATOM 125 N GLU A 9 -5.942 -1.565 -6.204 1.00 0.00 N ATOM 126 CA GLU A 9 -6.971 -0.539 -6.192 1.00 0.00 C ATOM 127 C GLU A 9 -6.568 0.605 -5.260 1.00 0.00 C ATOM 128 O GLU A 9 -6.501 1.758 -5.681 1.00 0.00 O ATOM 129 CB GLU A 9 -8.325 -1.126 -5.786 1.00 0.00 C ATOM 130 CG GLU A 9 -9.271 -1.200 -6.985 1.00 0.00 C ATOM 131 CD GLU A 9 -9.994 0.131 -7.196 1.00 0.00 C ATOM 132 OE1 GLU A 9 -9.320 1.173 -7.049 1.00 0.00 O ATOM 133 OE2 GLU A 9 -11.206 0.077 -7.501 1.00 0.00 O ATOM 0 H GLU A 9 -6.274 -2.504 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.072 -0.141 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.183 -2.123 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.771 -0.513 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.708 -1.458 -7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.001 -1.994 -6.828 1.00 0.00 H new ATOM 140 N LYS A 10 -6.310 0.246 -4.011 1.00 0.00 N ATOM 141 CA LYS A 10 -5.915 1.228 -3.016 1.00 0.00 C ATOM 142 C LYS A 10 -4.509 1.738 -3.338 1.00 0.00 C ATOM 143 O LYS A 10 -4.285 2.944 -3.419 1.00 0.00 O ATOM 144 CB LYS A 10 -6.052 0.648 -1.607 1.00 0.00 C ATOM 145 CG LYS A 10 -6.443 1.734 -0.603 1.00 0.00 C ATOM 146 CD LYS A 10 -7.954 1.974 -0.615 1.00 0.00 C ATOM 147 CE LYS A 10 -8.566 1.693 0.758 1.00 0.00 C ATOM 148 NZ LYS A 10 -9.781 0.859 0.624 1.00 0.00 N ATOM 0 H LYS A 10 -6.367 -0.712 -3.665 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.581 2.090 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.804 -0.141 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.110 0.191 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.126 1.440 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.922 2.661 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.160 3.005 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.421 1.334 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.837 1.185 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.816 2.633 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.183 0.678 1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.481 1.357 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.533 -0.045 0.174 1.00 0.00 H new ATOM 162 N VAL A 11 -3.598 0.792 -3.513 1.00 0.00 N ATOM 163 CA VAL A 11 -2.219 1.129 -3.825 1.00 0.00 C ATOM 164 C VAL A 11 -2.194 2.167 -4.948 1.00 0.00 C ATOM 165 O VAL A 11 -1.615 3.240 -4.794 1.00 0.00 O ATOM 166 CB VAL A 11 -1.434 -0.140 -4.165 1.00 0.00 C ATOM 167 CG1 VAL A 11 0.062 0.157 -4.281 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.697 -1.240 -3.135 1.00 0.00 C ATOM 0 H VAL A 11 -3.788 -0.208 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.729 1.575 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.781 -0.500 -5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.597 -0.761 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.227 0.892 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.429 0.552 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.127 -2.131 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.391 -0.894 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.760 -1.480 -3.122 1.00 0.00 H new ATOM 178 N LYS A 12 -2.830 1.810 -6.055 1.00 0.00 N ATOM 179 CA LYS A 12 -2.889 2.698 -7.204 1.00 0.00 C ATOM 180 C LYS A 12 -3.336 4.087 -6.748 1.00 0.00 C ATOM 181 O LYS A 12 -2.745 5.093 -7.139 1.00 0.00 O ATOM 182 CB LYS A 12 -3.771 2.096 -8.301 1.00 0.00 C ATOM 183 CG LYS A 12 -4.104 3.139 -9.368 1.00 0.00 C ATOM 184 CD LYS A 12 -3.598 2.698 -10.743 1.00 0.00 C ATOM 185 CE LYS A 12 -3.953 3.729 -11.816 1.00 0.00 C ATOM 186 NZ LYS A 12 -2.747 4.476 -12.236 1.00 0.00 N ATOM 0 H LYS A 12 -3.309 0.918 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.900 2.812 -7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.260 1.250 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.692 1.712 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.182 3.294 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.654 4.095 -9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.517 2.561 -10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.034 1.733 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.396 3.229 -12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.701 4.422 -11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.006 5.172 -12.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.341 4.969 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.046 3.813 -12.624 1.00 0.00 H new ATOM 200 N ALA A 13 -4.375 4.100 -5.926 1.00 0.00 N ATOM 201 CA ALA A 13 -4.907 5.350 -5.412 1.00 0.00 C ATOM 202 C ALA A 13 -3.853 6.027 -4.535 1.00 0.00 C ATOM 203 O ALA A 13 -3.701 7.247 -4.570 1.00 0.00 O ATOM 204 CB ALA A 13 -6.209 5.077 -4.654 1.00 0.00 C ATOM 0 H ALA A 13 -4.863 3.264 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.142 6.032 -6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.609 6.015 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.935 4.624 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.012 4.398 -3.825 1.00 0.00 H new ATOM 210 N LEU A 14 -3.151 5.205 -3.769 1.00 0.00 N ATOM 211 CA LEU A 14 -2.115 5.709 -2.883 1.00 0.00 C ATOM 212 C LEU A 14 -1.064 6.455 -3.708 1.00 0.00 C ATOM 213 O LEU A 14 -0.712 7.590 -3.391 1.00 0.00 O ATOM 214 CB LEU A 14 -1.538 4.575 -2.033 1.00 0.00 C ATOM 215 CG LEU A 14 -2.442 4.046 -0.917 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.614 3.469 0.232 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.412 5.128 -0.439 1.00 0.00 C ATOM 0 H LEU A 14 -3.279 4.193 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.534 6.425 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.286 3.745 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.606 4.921 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.043 3.231 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.281 3.100 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.000 2.648 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.970 4.247 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.043 4.726 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.848 5.980 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.037 5.450 -1.272 1.00 0.00 H new ATOM 229 N GLU A 15 -0.593 5.787 -4.751 1.00 0.00 N ATOM 230 CA GLU A 15 0.411 6.372 -5.623 1.00 0.00 C ATOM 231 C GLU A 15 0.008 7.795 -6.016 1.00 0.00 C ATOM 232 O GLU A 15 0.794 8.729 -5.868 1.00 0.00 O ATOM 233 CB GLU A 15 0.633 5.504 -6.863 1.00 0.00 C ATOM 234 CG GLU A 15 1.483 6.237 -7.902 1.00 0.00 C ATOM 235 CD GLU A 15 1.624 5.408 -9.180 1.00 0.00 C ATOM 236 OE1 GLU A 15 0.663 5.431 -9.980 1.00 0.00 O ATOM 237 OE2 GLU A 15 2.689 4.771 -9.328 1.00 0.00 O ATOM 0 H GLU A 15 -0.888 4.846 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 15 1.354 6.419 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.124 4.574 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.329 5.235 -7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.027 7.199 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.470 6.445 -7.488 1.00 0.00 H new ATOM 244 N GLU A 16 -1.216 7.914 -6.509 1.00 0.00 N ATOM 245 CA GLU A 16 -1.732 9.208 -6.923 1.00 0.00 C ATOM 246 C GLU A 16 -1.862 10.140 -5.716 1.00 0.00 C ATOM 247 O GLU A 16 -1.313 11.240 -5.715 1.00 0.00 O ATOM 248 CB GLU A 16 -3.072 9.057 -7.647 1.00 0.00 C ATOM 249 CG GLU A 16 -3.076 9.837 -8.962 1.00 0.00 C ATOM 250 CD GLU A 16 -4.271 9.441 -9.832 1.00 0.00 C ATOM 251 OE1 GLU A 16 -5.403 9.510 -9.307 1.00 0.00 O ATOM 252 OE2 GLU A 16 -4.024 9.076 -11.002 1.00 0.00 O ATOM 0 H GLU A 16 -1.865 7.137 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.025 9.652 -7.624 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.266 8.003 -7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.878 9.414 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.112 10.906 -8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.149 9.648 -9.504 1.00 0.00 H new ATOM 259 N LYS A 17 -2.591 9.664 -4.718 1.00 0.00 N ATOM 260 CA LYS A 17 -2.800 10.440 -3.508 1.00 0.00 C ATOM 261 C LYS A 17 -1.445 10.864 -2.939 1.00 0.00 C ATOM 262 O LYS A 17 -1.158 12.055 -2.830 1.00 0.00 O ATOM 263 CB LYS A 17 -3.668 9.663 -2.516 1.00 0.00 C ATOM 264 CG LYS A 17 -4.977 10.405 -2.234 1.00 0.00 C ATOM 265 CD LYS A 17 -6.061 9.439 -1.753 1.00 0.00 C ATOM 266 CE LYS A 17 -6.562 8.560 -2.902 1.00 0.00 C ATOM 267 NZ LYS A 17 -7.866 9.051 -3.400 1.00 0.00 N ATOM 0 H LYS A 17 -3.044 8.750 -4.722 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.352 11.353 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.886 8.673 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.121 9.517 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.809 11.173 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.313 10.914 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.665 8.810 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.894 10.002 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.833 8.560 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.661 7.529 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.191 8.443 -4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.563 9.028 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.761 10.027 -3.743 1.00 0.00 H new ATOM 281 N VAL A 18 -0.647 9.865 -2.590 1.00 0.00 N ATOM 282 CA VAL A 18 0.672 10.119 -2.034 1.00 0.00 C ATOM 283 C VAL A 18 1.360 11.216 -2.849 1.00 0.00 C ATOM 284 O VAL A 18 2.108 12.024 -2.301 1.00 0.00 O ATOM 285 CB VAL A 18 1.476 8.819 -1.980 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.848 9.049 -1.344 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.704 7.727 -1.238 1.00 0.00 C ATOM 0 H VAL A 18 -0.888 8.878 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 18 0.593 10.478 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 18 1.634 8.480 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.399 8.109 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.404 9.779 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.720 9.423 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.298 6.814 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.500 8.054 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.238 7.534 -1.752 1.00 0.00 H new ATOM 297 N LYS A 19 1.083 11.208 -4.145 1.00 0.00 N ATOM 298 CA LYS A 19 1.669 12.192 -5.040 1.00 0.00 C ATOM 299 C LYS A 19 0.923 13.519 -4.887 1.00 0.00 C ATOM 300 O LYS A 19 1.541 14.583 -4.872 1.00 0.00 O ATOM 301 CB LYS A 19 1.693 11.663 -6.475 1.00 0.00 C ATOM 302 CG LYS A 19 2.541 12.561 -7.377 1.00 0.00 C ATOM 303 CD LYS A 19 2.341 12.204 -8.852 1.00 0.00 C ATOM 304 CE LYS A 19 3.019 13.230 -9.761 1.00 0.00 C ATOM 305 NZ LYS A 19 3.174 12.688 -11.130 1.00 0.00 N ATOM 0 H LYS A 19 0.461 10.537 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 19 2.710 12.377 -4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.093 10.649 -6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.676 11.608 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.273 13.605 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.594 12.457 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.749 11.213 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.276 12.160 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.428 14.145 -9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.996 13.495 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.636 13.397 -11.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.757 11.827 -11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.238 12.458 -11.520 1.00 0.00 H new ATOM 319 N ALA A 20 -0.393 13.413 -4.779 1.00 0.00 N ATOM 320 CA ALA A 20 -1.229 14.593 -4.630 1.00 0.00 C ATOM 321 C ALA A 20 -0.762 15.391 -3.410 1.00 0.00 C ATOM 322 O ALA A 20 -0.966 16.603 -3.342 1.00 0.00 O ATOM 323 CB ALA A 20 -2.695 14.169 -4.522 1.00 0.00 C ATOM 0 H ALA A 20 -0.901 12.529 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.140 15.240 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.322 15.053 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.985 13.630 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.823 13.521 -3.655 1.00 0.00 H new ATOM 329 N LEU A 21 -0.145 14.680 -2.478 1.00 0.00 N ATOM 330 CA LEU A 21 0.352 15.307 -1.265 1.00 0.00 C ATOM 331 C LEU A 21 1.471 16.288 -1.624 1.00 0.00 C ATOM 332 O LEU A 21 2.383 15.945 -2.376 1.00 0.00 O ATOM 333 CB LEU A 21 0.768 14.246 -0.245 1.00 0.00 C ATOM 334 CG LEU A 21 -0.108 12.993 -0.185 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.271 12.116 1.010 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.593 13.363 -0.176 1.00 0.00 C ATOM 0 H LEU A 21 0.022 13.676 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.437 15.885 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.791 13.940 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.779 14.705 0.743 1.00 0.00 H new ATOM 0 HG LEU A 21 0.073 12.406 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.367 11.232 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.313 11.810 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.137 12.681 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.194 12.455 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.808 13.982 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.836 13.916 -1.083 1.00 0.00 H new ATOM 348 N GLY A 22 1.364 17.486 -1.071 1.00 0.00 N ATOM 349 CA GLY A 22 2.356 18.518 -1.324 1.00 0.00 C ATOM 350 C GLY A 22 3.765 17.923 -1.377 1.00 0.00 C ATOM 351 O GLY A 22 4.606 18.380 -2.150 1.00 0.00 O ATOM 0 H GLY A 22 0.606 17.766 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.133 19.019 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.306 19.275 -0.541 1.00 0.00 H new ATOM 355 N GLY A 23 3.979 16.913 -0.547 1.00 0.00 N ATOM 356 CA GLY A 23 5.270 16.252 -0.490 1.00 0.00 C ATOM 357 C GLY A 23 6.388 17.255 -0.198 1.00 0.00 C ATOM 358 O GLY A 23 6.122 18.428 0.061 1.00 0.00 O ATOM 0 H GLY A 23 3.279 16.536 0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.255 15.484 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.467 15.748 -1.436 1.00 0.00 H new ATOM 362 N GLY A 24 7.614 16.757 -0.248 1.00 0.00 N ATOM 363 CA GLY A 24 8.773 17.595 0.009 1.00 0.00 C ATOM 364 C GLY A 24 9.575 17.072 1.204 1.00 0.00 C ATOM 365 O GLY A 24 10.793 17.234 1.257 1.00 0.00 O ATOM 0 H GLY A 24 7.831 15.784 -0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.409 17.623 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.451 18.618 0.203 1.00 0.00 H new ATOM 369 N GLY A 25 8.858 16.457 2.132 1.00 0.00 N ATOM 370 CA GLY A 25 9.487 15.910 3.322 1.00 0.00 C ATOM 371 C GLY A 25 8.443 15.315 4.270 1.00 0.00 C ATOM 372 O GLY A 25 8.508 15.524 5.480 1.00 0.00 O ATOM 0 H GLY A 25 7.848 16.325 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.205 15.141 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.045 16.693 3.835 1.00 0.00 H new ATOM 376 N ARG A 26 7.503 14.588 3.683 1.00 0.00 N ATOM 377 CA ARG A 26 6.447 13.961 4.460 1.00 0.00 C ATOM 378 C ARG A 26 6.089 12.597 3.868 1.00 0.00 C ATOM 379 O ARG A 26 6.374 11.562 4.467 1.00 0.00 O ATOM 380 CB ARG A 26 5.195 14.840 4.495 1.00 0.00 C ATOM 381 CG ARG A 26 5.046 15.528 5.854 1.00 0.00 C ATOM 382 CD ARG A 26 4.619 14.528 6.930 1.00 0.00 C ATOM 383 NE ARG A 26 5.741 14.279 7.863 1.00 0.00 N ATOM 384 CZ ARG A 26 5.630 13.585 9.004 1.00 0.00 C ATOM 385 NH1 ARG A 26 4.447 13.067 9.361 1.00 0.00 N ATOM 386 NH2 ARG A 26 6.702 13.410 9.788 1.00 0.00 N ATOM 0 H ARG A 26 7.451 14.419 2.678 1.00 0.00 H new ATOM 0 HA ARG A 26 6.816 13.832 5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.252 15.591 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.313 14.232 4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.991 15.991 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.309 16.328 5.782 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.759 14.915 7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.307 13.593 6.466 1.00 0.00 H new ATOM 0 HE ARG A 26 6.656 14.660 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.631 13.201 8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.363 12.539 10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.602 13.805 9.516 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.618 12.882 10.657 1.00 0.00 H new ATOM 400 N ILE A 27 5.470 12.641 2.697 1.00 0.00 N ATOM 401 CA ILE A 27 5.069 11.421 2.016 1.00 0.00 C ATOM 402 C ILE A 27 6.246 10.444 1.996 1.00 0.00 C ATOM 403 O ILE A 27 6.051 9.231 2.043 1.00 0.00 O ATOM 404 CB ILE A 27 4.511 11.741 0.629 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.484 12.615 -0.166 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.122 12.376 0.729 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.754 13.385 -1.269 1.00 0.00 C ATOM 0 H ILE A 27 5.236 13.502 2.203 1.00 0.00 H new ATOM 0 HA ILE A 27 4.257 10.932 2.555 1.00 0.00 H new ATOM 0 HB ILE A 27 4.399 10.805 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.980 13.316 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.262 11.991 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.748 12.594 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.442 11.686 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.185 13.301 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.468 13.998 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.280 12.680 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.993 14.026 -0.823 1.00 0.00 H new ATOM 419 N GLU A 28 7.442 11.010 1.924 1.00 0.00 N ATOM 420 CA GLU A 28 8.651 10.204 1.895 1.00 0.00 C ATOM 421 C GLU A 28 8.481 8.963 2.773 1.00 0.00 C ATOM 422 O GLU A 28 8.543 7.837 2.282 1.00 0.00 O ATOM 423 CB GLU A 28 9.866 11.023 2.333 1.00 0.00 C ATOM 424 CG GLU A 28 11.144 10.183 2.274 1.00 0.00 C ATOM 425 CD GLU A 28 12.311 10.911 2.945 1.00 0.00 C ATOM 426 OE1 GLU A 28 12.303 10.969 4.193 1.00 0.00 O ATOM 427 OE2 GLU A 28 13.184 11.396 2.192 1.00 0.00 O ATOM 0 H GLU A 28 7.600 12.017 1.885 1.00 0.00 H new ATOM 0 HA GLU A 28 8.824 9.879 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.971 11.897 1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.715 11.390 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.977 9.225 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.394 9.968 1.235 1.00 0.00 H new ATOM 434 N GLU A 29 8.272 9.210 4.059 1.00 0.00 N ATOM 435 CA GLU A 29 8.094 8.126 5.010 1.00 0.00 C ATOM 436 C GLU A 29 7.114 7.090 4.456 1.00 0.00 C ATOM 437 O GLU A 29 7.520 6.008 4.034 1.00 0.00 O ATOM 438 CB GLU A 29 7.621 8.658 6.364 1.00 0.00 C ATOM 439 CG GLU A 29 7.921 7.656 7.482 1.00 0.00 C ATOM 440 CD GLU A 29 6.656 7.329 8.278 1.00 0.00 C ATOM 441 OE1 GLU A 29 6.042 8.291 8.789 1.00 0.00 O ATOM 442 OE2 GLU A 29 6.333 6.124 8.360 1.00 0.00 O ATOM 0 H GLU A 29 8.222 10.145 4.464 1.00 0.00 H new ATOM 0 HA GLU A 29 9.058 7.641 5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.114 9.606 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.550 8.857 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.333 6.742 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.679 8.066 8.149 1.00 0.00 H new ATOM 449 N LEU A 30 5.841 7.457 4.474 1.00 0.00 N ATOM 450 CA LEU A 30 4.799 6.573 3.979 1.00 0.00 C ATOM 451 C LEU A 30 5.221 6.006 2.622 1.00 0.00 C ATOM 452 O LEU A 30 5.006 4.827 2.343 1.00 0.00 O ATOM 453 CB LEU A 30 3.451 7.295 3.953 1.00 0.00 C ATOM 454 CG LEU A 30 3.342 8.476 2.987 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.313 7.996 1.534 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.132 9.352 3.325 1.00 0.00 C ATOM 0 H LEU A 30 5.507 8.355 4.824 1.00 0.00 H new ATOM 0 HA LEU A 30 4.666 5.726 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.678 6.570 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.233 7.653 4.959 1.00 0.00 H new ATOM 0 HG LEU A 30 4.231 9.095 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.235 8.856 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.229 7.448 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.454 7.342 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.078 10.184 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.221 8.757 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.235 9.739 4.339 1.00 0.00 H new ATOM 468 N LYS A 31 5.811 6.873 1.812 1.00 0.00 N ATOM 469 CA LYS A 31 6.264 6.474 0.490 1.00 0.00 C ATOM 470 C LYS A 31 7.265 5.324 0.625 1.00 0.00 C ATOM 471 O LYS A 31 7.262 4.397 -0.184 1.00 0.00 O ATOM 472 CB LYS A 31 6.811 7.680 -0.276 1.00 0.00 C ATOM 473 CG LYS A 31 5.735 8.295 -1.172 1.00 0.00 C ATOM 474 CD LYS A 31 6.333 8.773 -2.497 1.00 0.00 C ATOM 475 CE LYS A 31 6.667 7.589 -3.406 1.00 0.00 C ATOM 476 NZ LYS A 31 6.917 8.052 -4.789 1.00 0.00 N ATOM 0 H LYS A 31 5.986 7.850 2.046 1.00 0.00 H new ATOM 0 HA LYS A 31 5.429 6.102 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.174 8.428 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.663 7.374 -0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.954 7.560 -1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.264 9.133 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.628 9.435 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.235 9.354 -2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.546 7.068 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.844 6.874 -3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.142 7.236 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.068 8.529 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.717 8.717 -4.793 1.00 0.00 H new ATOM 490 N LYS A 32 8.098 5.425 1.650 1.00 0.00 N ATOM 491 CA LYS A 32 9.102 4.405 1.900 1.00 0.00 C ATOM 492 C LYS A 32 8.413 3.050 2.083 1.00 0.00 C ATOM 493 O LYS A 32 8.709 2.098 1.363 1.00 0.00 O ATOM 494 CB LYS A 32 9.991 4.806 3.080 1.00 0.00 C ATOM 495 CG LYS A 32 10.514 6.234 2.910 1.00 0.00 C ATOM 496 CD LYS A 32 12.024 6.296 3.146 1.00 0.00 C ATOM 497 CE LYS A 32 12.785 5.587 2.024 1.00 0.00 C ATOM 498 NZ LYS A 32 14.136 5.192 2.482 1.00 0.00 N ATOM 0 H LYS A 32 8.098 6.197 2.317 1.00 0.00 H new ATOM 0 HA LYS A 32 9.770 4.311 1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.425 4.730 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.830 4.114 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.284 6.592 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.005 6.897 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.344 7.336 3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.265 5.833 4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.231 4.705 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.866 6.245 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.638 4.712 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.667 6.039 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.053 4.547 3.293 1.00 0.00 H new ATOM 512 N LYS A 33 7.508 3.008 3.050 1.00 0.00 N ATOM 513 CA LYS A 33 6.775 1.786 3.336 1.00 0.00 C ATOM 514 C LYS A 33 5.913 1.418 2.126 1.00 0.00 C ATOM 515 O LYS A 33 5.766 0.242 1.799 1.00 0.00 O ATOM 516 CB LYS A 33 5.982 1.930 4.636 1.00 0.00 C ATOM 517 CG LYS A 33 6.919 2.100 5.834 1.00 0.00 C ATOM 518 CD LYS A 33 6.563 1.117 6.951 1.00 0.00 C ATOM 519 CE LYS A 33 7.064 1.623 8.306 1.00 0.00 C ATOM 520 NZ LYS A 33 6.686 0.682 9.384 1.00 0.00 N ATOM 0 H LYS A 33 7.266 3.800 3.645 1.00 0.00 H new ATOM 0 HA LYS A 33 7.464 0.957 3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.315 2.790 4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.354 1.051 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.950 1.941 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.854 3.121 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.483 0.978 6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.003 0.143 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.148 1.738 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.644 2.608 8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.034 1.041 10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.650 0.593 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.108 -0.250 9.195 1.00 0.00 H new ATOM 534 N TRP A 34 5.367 2.448 1.495 1.00 0.00 N ATOM 535 CA TRP A 34 4.523 2.248 0.329 1.00 0.00 C ATOM 536 C TRP A 34 5.341 1.498 -0.723 1.00 0.00 C ATOM 537 O TRP A 34 4.787 0.752 -1.529 1.00 0.00 O ATOM 538 CB TRP A 34 3.970 3.579 -0.182 1.00 0.00 C ATOM 539 CG TRP A 34 4.019 3.731 -1.704 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.037 4.169 -2.456 1.00 0.00 C ATOM 541 CD2 TRP A 34 2.959 3.425 -2.633 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.712 4.167 -3.798 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.407 3.700 -3.908 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.662 2.930 -2.404 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.625 3.514 -5.054 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.892 2.750 -3.559 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.330 3.023 -4.850 1.00 0.00 C ATOM 0 H TRP A 34 5.493 3.422 1.769 1.00 0.00 H new ATOM 0 HA TRP A 34 3.649 1.648 0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.937 3.683 0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.534 4.393 0.272 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.992 4.484 -2.062 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.317 4.455 -4.567 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.290 2.707 -1.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.000 3.737 -6.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.113 2.373 -3.439 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.674 2.857 -5.692 1.00 0.00 H new ATOM 558 N GLU A 35 6.646 1.720 -0.682 1.00 0.00 N ATOM 559 CA GLU A 35 7.546 1.074 -1.622 1.00 0.00 C ATOM 560 C GLU A 35 7.810 -0.372 -1.196 1.00 0.00 C ATOM 561 O GLU A 35 7.944 -1.257 -2.040 1.00 0.00 O ATOM 562 CB GLU A 35 8.856 1.854 -1.752 1.00 0.00 C ATOM 563 CG GLU A 35 9.022 2.412 -3.167 1.00 0.00 C ATOM 564 CD GLU A 35 10.076 3.523 -3.199 1.00 0.00 C ATOM 565 OE1 GLU A 35 11.205 3.246 -2.739 1.00 0.00 O ATOM 566 OE2 GLU A 35 9.728 4.621 -3.681 1.00 0.00 O ATOM 0 H GLU A 35 7.102 2.339 -0.012 1.00 0.00 H new ATOM 0 HA GLU A 35 7.069 1.063 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.870 2.671 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.697 1.203 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.313 1.610 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.068 2.801 -3.523 1.00 0.00 H new ATOM 573 N GLU A 36 7.876 -0.567 0.113 1.00 0.00 N ATOM 574 CA GLU A 36 8.122 -1.890 0.661 1.00 0.00 C ATOM 575 C GLU A 36 6.810 -2.673 0.766 1.00 0.00 C ATOM 576 O GLU A 36 6.822 -3.889 0.949 1.00 0.00 O ATOM 577 CB GLU A 36 8.817 -1.800 2.021 1.00 0.00 C ATOM 578 CG GLU A 36 9.670 -0.534 2.118 1.00 0.00 C ATOM 579 CD GLU A 36 10.932 -0.785 2.944 1.00 0.00 C ATOM 580 OE1 GLU A 36 11.927 -1.238 2.336 1.00 0.00 O ATOM 581 OE2 GLU A 36 10.876 -0.518 4.163 1.00 0.00 O ATOM 0 H GLU A 36 7.763 0.169 0.810 1.00 0.00 H new ATOM 0 HA GLU A 36 8.789 -2.424 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.071 -1.802 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.445 -2.678 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.946 -0.200 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.087 0.267 2.572 1.00 0.00 H new ATOM 588 N LEU A 37 5.711 -1.942 0.648 1.00 0.00 N ATOM 589 CA LEU A 37 4.395 -2.551 0.728 1.00 0.00 C ATOM 590 C LEU A 37 3.996 -3.077 -0.652 1.00 0.00 C ATOM 591 O LEU A 37 3.644 -4.246 -0.797 1.00 0.00 O ATOM 592 CB LEU A 37 3.385 -1.571 1.328 1.00 0.00 C ATOM 593 CG LEU A 37 2.036 -1.475 0.612 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.268 -2.795 0.713 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.219 -0.294 1.138 1.00 0.00 C ATOM 0 H LEU A 37 5.706 -0.933 0.498 1.00 0.00 H new ATOM 0 HA LEU A 37 4.413 -3.407 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.204 -1.856 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.837 -0.579 1.344 1.00 0.00 H new ATOM 0 HG LEU A 37 2.222 -1.291 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.313 -2.701 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.852 -3.592 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.091 -3.034 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.265 -0.249 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.039 -0.422 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.769 0.632 0.972 1.00 0.00 H new ATOM 607 N LYS A 38 4.066 -2.188 -1.632 1.00 0.00 N ATOM 608 CA LYS A 38 3.716 -2.547 -2.995 1.00 0.00 C ATOM 609 C LYS A 38 4.552 -3.753 -3.431 1.00 0.00 C ATOM 610 O LYS A 38 4.081 -4.599 -4.189 1.00 0.00 O ATOM 611 CB LYS A 38 3.855 -1.337 -3.921 1.00 0.00 C ATOM 612 CG LYS A 38 3.694 -1.746 -5.387 1.00 0.00 C ATOM 613 CD LYS A 38 4.611 -0.920 -6.291 1.00 0.00 C ATOM 614 CE LYS A 38 4.206 0.555 -6.282 1.00 0.00 C ATOM 615 NZ LYS A 38 3.234 0.832 -7.362 1.00 0.00 N ATOM 0 H LYS A 38 4.360 -1.219 -1.509 1.00 0.00 H new ATOM 0 HA LYS A 38 2.669 -2.845 -3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.104 -0.590 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.830 -0.873 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.924 -2.805 -5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.657 -1.611 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.643 -1.019 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.568 -1.306 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.769 0.812 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.089 1.181 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.970 1.838 -7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.663 0.605 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.385 0.248 -7.223 1.00 0.00 H new ATOM 629 N LYS A 39 5.779 -3.794 -2.931 1.00 0.00 N ATOM 630 CA LYS A 39 6.685 -4.881 -3.259 1.00 0.00 C ATOM 631 C LYS A 39 6.157 -6.180 -2.647 1.00 0.00 C ATOM 632 O LYS A 39 6.480 -7.269 -3.119 1.00 0.00 O ATOM 633 CB LYS A 39 8.113 -4.536 -2.831 1.00 0.00 C ATOM 634 CG LYS A 39 9.128 -5.449 -3.523 1.00 0.00 C ATOM 635 CD LYS A 39 9.563 -6.586 -2.597 1.00 0.00 C ATOM 636 CE LYS A 39 9.495 -7.935 -3.316 1.00 0.00 C ATOM 637 NZ LYS A 39 10.542 -8.019 -4.359 1.00 0.00 N ATOM 0 H LYS A 39 6.166 -3.091 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 39 6.727 -5.030 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.328 -3.496 -3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.207 -4.636 -1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.690 -5.862 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.999 -4.867 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.580 -6.407 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.922 -6.607 -1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.624 -8.744 -2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.512 -8.064 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.493 -8.947 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.391 -7.269 -5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.478 -7.900 -3.922 1.00 0.00 H new ATOM 651 N LYS A 40 5.354 -6.022 -1.604 1.00 0.00 N ATOM 652 CA LYS A 40 4.778 -7.170 -0.923 1.00 0.00 C ATOM 653 C LYS A 40 3.539 -7.641 -1.686 1.00 0.00 C ATOM 654 O LYS A 40 3.344 -8.840 -1.880 1.00 0.00 O ATOM 655 CB LYS A 40 4.508 -6.839 0.546 1.00 0.00 C ATOM 656 CG LYS A 40 5.367 -7.704 1.471 1.00 0.00 C ATOM 657 CD LYS A 40 6.622 -6.951 1.916 1.00 0.00 C ATOM 658 CE LYS A 40 7.496 -7.825 2.817 1.00 0.00 C ATOM 659 NZ LYS A 40 8.793 -7.165 3.081 1.00 0.00 N ATOM 0 H LYS A 40 5.089 -5.117 -1.214 1.00 0.00 H new ATOM 0 HA LYS A 40 5.482 -8.002 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.718 -5.785 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.453 -6.998 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.785 -7.997 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.652 -8.621 0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.193 -6.640 1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.336 -6.044 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.981 -8.016 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.664 -8.792 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.373 -7.773 3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.290 -7.005 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.629 -6.253 3.553 1.00 0.00 H new ATOM 673 N ILE A 41 2.733 -6.674 -2.098 1.00 0.00 N ATOM 674 CA ILE A 41 1.518 -6.975 -2.835 1.00 0.00 C ATOM 675 C ILE A 41 1.881 -7.682 -4.142 1.00 0.00 C ATOM 676 O ILE A 41 1.038 -8.335 -4.755 1.00 0.00 O ATOM 677 CB ILE A 41 0.683 -5.708 -3.033 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.661 -4.861 -1.759 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.727 -6.051 -3.518 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.511 -3.878 -1.774 1.00 0.00 C ATOM 0 H ILE A 41 2.898 -5.681 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 41 0.888 -7.659 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 41 1.154 -5.107 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.584 -5.511 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.599 -4.313 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.299 -5.133 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.666 -6.581 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.222 -6.684 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.503 -3.289 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.418 -3.214 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.448 -4.430 -1.842 1.00 0.00 H new ATOM 692 N GLU A 42 3.139 -7.529 -4.530 1.00 0.00 N ATOM 693 CA GLU A 42 3.625 -8.145 -5.753 1.00 0.00 C ATOM 694 C GLU A 42 3.907 -9.631 -5.524 1.00 0.00 C ATOM 695 O GLU A 42 3.404 -10.483 -6.255 1.00 0.00 O ATOM 696 CB GLU A 42 4.870 -7.424 -6.273 1.00 0.00 C ATOM 697 CG GLU A 42 4.534 -6.554 -7.486 1.00 0.00 C ATOM 698 CD GLU A 42 4.808 -7.303 -8.791 1.00 0.00 C ATOM 699 OE1 GLU A 42 5.897 -7.910 -8.879 1.00 0.00 O ATOM 700 OE2 GLU A 42 3.923 -7.253 -9.672 1.00 0.00 O ATOM 0 H GLU A 42 3.836 -6.987 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 42 2.850 -8.056 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.292 -6.804 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.631 -8.155 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.486 -6.257 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.126 -5.639 -7.457 1.00 0.00 H new ATOM 707 N GLU A 43 4.710 -9.897 -4.504 1.00 0.00 N ATOM 708 CA GLU A 43 5.066 -11.266 -4.169 1.00 0.00 C ATOM 709 C GLU A 43 3.913 -11.947 -3.430 1.00 0.00 C ATOM 710 O GLU A 43 3.977 -13.141 -3.138 1.00 0.00 O ATOM 711 CB GLU A 43 6.352 -11.311 -3.341 1.00 0.00 C ATOM 712 CG GLU A 43 7.476 -12.007 -4.112 1.00 0.00 C ATOM 713 CD GLU A 43 8.606 -12.428 -3.171 1.00 0.00 C ATOM 714 OE1 GLU A 43 9.021 -11.570 -2.362 1.00 0.00 O ATOM 715 OE2 GLU A 43 9.031 -13.598 -3.281 1.00 0.00 O ATOM 0 H GLU A 43 5.124 -9.188 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 43 5.251 -11.811 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.657 -10.297 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.168 -11.838 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.081 -12.883 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.866 -11.337 -4.878 1.00 0.00 H new ATOM 722 N LEU A 44 2.885 -11.160 -3.147 1.00 0.00 N ATOM 723 CA LEU A 44 1.720 -11.672 -2.448 1.00 0.00 C ATOM 724 C LEU A 44 1.370 -13.058 -2.994 1.00 0.00 C ATOM 725 O LEU A 44 0.773 -13.175 -4.064 1.00 0.00 O ATOM 726 CB LEU A 44 0.565 -10.671 -2.525 1.00 0.00 C ATOM 727 CG LEU A 44 0.294 -9.862 -1.255 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.906 -8.931 -1.444 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.121 -10.781 -0.044 1.00 0.00 C ATOM 0 H LEU A 44 2.836 -10.171 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 44 1.936 -11.793 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.767 -9.975 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.343 -11.214 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 44 1.163 -9.233 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.077 -8.367 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.705 -8.240 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.792 -9.522 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.070 -10.180 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.719 -11.454 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.029 -11.365 0.102 1.00 0.00 H new ATOM 769 N GLU A 49 0.452 -13.939 3.785 1.00 0.00 N ATOM 770 CA GLU A 49 0.796 -12.980 4.821 1.00 0.00 C ATOM 771 C GLU A 49 0.335 -11.577 4.420 1.00 0.00 C ATOM 772 O GLU A 49 0.991 -10.589 4.744 1.00 0.00 O ATOM 773 CB GLU A 49 2.298 -13.002 5.111 1.00 0.00 C ATOM 774 CG GLU A 49 2.620 -13.959 6.260 1.00 0.00 C ATOM 775 CD GLU A 49 4.107 -13.907 6.616 1.00 0.00 C ATOM 776 OE1 GLU A 49 4.906 -14.401 5.790 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.413 -13.375 7.705 1.00 0.00 O ATOM 0 HA GLU A 49 0.278 -13.263 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.840 -13.307 4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.638 -11.998 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.024 -13.697 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.345 -14.976 5.979 1.00 0.00 H new ATOM 784 N VAL A 50 -0.789 -11.536 3.720 1.00 0.00 N ATOM 785 CA VAL A 50 -1.345 -10.270 3.271 1.00 0.00 C ATOM 786 C VAL A 50 -1.592 -9.369 4.483 1.00 0.00 C ATOM 787 O VAL A 50 -1.461 -8.149 4.391 1.00 0.00 O ATOM 788 CB VAL A 50 -2.608 -10.518 2.444 1.00 0.00 C ATOM 789 CG1 VAL A 50 -3.117 -9.218 1.819 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.361 -11.581 1.371 1.00 0.00 C ATOM 0 H VAL A 50 -1.330 -12.358 3.453 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.641 -9.753 2.619 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.380 -10.893 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.015 -9.422 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.350 -8.502 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.349 -8.802 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.275 -11.738 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.567 -11.247 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.066 -12.516 1.847 1.00 0.00 H new ATOM 800 N LYS A 51 -1.946 -10.003 5.591 1.00 0.00 N ATOM 801 CA LYS A 51 -2.212 -9.274 6.819 1.00 0.00 C ATOM 802 C LYS A 51 -1.221 -8.116 6.944 1.00 0.00 C ATOM 803 O LYS A 51 -1.546 -7.074 7.512 1.00 0.00 O ATOM 804 CB LYS A 51 -2.203 -10.223 8.019 1.00 0.00 C ATOM 805 CG LYS A 51 -3.576 -10.268 8.693 1.00 0.00 C ATOM 806 CD LYS A 51 -3.522 -11.073 9.992 1.00 0.00 C ATOM 807 CE LYS A 51 -4.928 -11.317 10.545 1.00 0.00 C ATOM 808 NZ LYS A 51 -5.010 -10.896 11.960 1.00 0.00 N ATOM 0 H LYS A 51 -2.055 -11.015 5.664 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.211 -8.839 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.921 -11.224 7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.451 -9.898 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.915 -9.254 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.304 -10.713 8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.027 -12.028 9.812 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.925 -10.539 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.658 -10.766 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.180 -12.374 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.971 -11.069 12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.327 -11.440 12.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.790 -9.882 12.034 1.00 0.00 H new ATOM 822 N LYS A 52 -0.031 -8.336 6.405 1.00 0.00 N ATOM 823 CA LYS A 52 1.011 -7.323 6.449 1.00 0.00 C ATOM 824 C LYS A 52 0.682 -6.215 5.447 1.00 0.00 C ATOM 825 O LYS A 52 0.532 -5.055 5.826 1.00 0.00 O ATOM 826 CB LYS A 52 2.385 -7.959 6.234 1.00 0.00 C ATOM 827 CG LYS A 52 3.138 -8.098 7.558 1.00 0.00 C ATOM 828 CD LYS A 52 4.059 -6.899 7.796 1.00 0.00 C ATOM 829 CE LYS A 52 5.230 -7.278 8.703 1.00 0.00 C ATOM 830 NZ LYS A 52 6.157 -6.135 8.858 1.00 0.00 N ATOM 0 H LYS A 52 0.235 -9.201 5.935 1.00 0.00 H new ATOM 0 HA LYS A 52 1.051 -6.860 7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.268 -8.940 5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.967 -7.350 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.425 -8.182 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.725 -9.016 7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.438 -6.532 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.493 -6.085 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.856 -7.586 9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.762 -8.131 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.946 -6.410 9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.527 -5.860 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.650 -5.331 9.280 1.00 0.00 H new ATOM 844 N VAL A 53 0.577 -6.613 4.187 1.00 0.00 N ATOM 845 CA VAL A 53 0.268 -5.668 3.127 1.00 0.00 C ATOM 846 C VAL A 53 -0.810 -4.698 3.614 1.00 0.00 C ATOM 847 O VAL A 53 -0.529 -3.525 3.861 1.00 0.00 O ATOM 848 CB VAL A 53 -0.133 -6.419 1.856 1.00 0.00 C ATOM 849 CG1 VAL A 53 -1.048 -5.563 0.979 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.101 -6.878 1.077 1.00 0.00 C ATOM 0 H VAL A 53 0.700 -7.577 3.877 1.00 0.00 H new ATOM 0 HA VAL A 53 1.148 -5.076 2.874 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.690 -7.307 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.318 -6.121 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.951 -5.309 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.528 -4.648 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.787 -7.409 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.697 -6.010 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.699 -7.542 1.701 1.00 0.00 H new ATOM 860 N GLU A 54 -2.021 -5.220 3.736 1.00 0.00 N ATOM 861 CA GLU A 54 -3.142 -4.415 4.189 1.00 0.00 C ATOM 862 C GLU A 54 -2.692 -3.446 5.284 1.00 0.00 C ATOM 863 O GLU A 54 -2.629 -2.239 5.062 1.00 0.00 O ATOM 864 CB GLU A 54 -4.291 -5.299 4.677 1.00 0.00 C ATOM 865 CG GLU A 54 -4.704 -6.305 3.601 1.00 0.00 C ATOM 866 CD GLU A 54 -6.155 -6.082 3.170 1.00 0.00 C ATOM 867 OE1 GLU A 54 -7.037 -6.696 3.809 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.350 -5.304 2.213 1.00 0.00 O ATOM 0 H GLU A 54 -2.251 -6.192 3.529 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.510 -3.832 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.988 -5.830 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.145 -4.677 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.046 -6.210 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.586 -7.319 3.982 1.00 0.00 H new ATOM 875 N GLU A 55 -2.390 -4.013 6.443 1.00 0.00 N ATOM 876 CA GLU A 55 -1.947 -3.215 7.573 1.00 0.00 C ATOM 877 C GLU A 55 -0.946 -2.153 7.114 1.00 0.00 C ATOM 878 O GLU A 55 -0.889 -1.062 7.678 1.00 0.00 O ATOM 879 CB GLU A 55 -1.346 -4.099 8.668 1.00 0.00 C ATOM 880 CG GLU A 55 -2.335 -4.295 9.818 1.00 0.00 C ATOM 881 CD GLU A 55 -2.237 -3.149 10.827 1.00 0.00 C ATOM 882 OE1 GLU A 55 -1.177 -3.059 11.483 1.00 0.00 O ATOM 883 OE2 GLU A 55 -3.226 -2.389 10.919 1.00 0.00 O ATOM 0 H GLU A 55 -2.443 -5.015 6.624 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.814 -2.709 7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.073 -5.068 8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.430 -3.645 9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.350 -4.352 9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.134 -5.243 10.318 1.00 0.00 H new ATOM 890 N GLU A 56 -0.178 -2.512 6.095 1.00 0.00 N ATOM 891 CA GLU A 56 0.819 -1.604 5.553 1.00 0.00 C ATOM 892 C GLU A 56 0.143 -0.492 4.747 1.00 0.00 C ATOM 893 O GLU A 56 0.498 0.678 4.878 1.00 0.00 O ATOM 894 CB GLU A 56 1.839 -2.358 4.697 1.00 0.00 C ATOM 895 CG GLU A 56 3.262 -1.877 4.991 1.00 0.00 C ATOM 896 CD GLU A 56 3.553 -1.910 6.493 1.00 0.00 C ATOM 897 OE1 GLU A 56 3.935 -2.999 6.973 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.385 -0.847 7.127 1.00 0.00 O ATOM 0 H GLU A 56 -0.226 -3.419 5.631 1.00 0.00 H new ATOM 0 HA GLU A 56 1.357 -1.148 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.765 -3.428 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.612 -2.211 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.979 -2.507 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.392 -0.863 4.614 1.00 0.00 H new ATOM 905 N VAL A 57 -0.819 -0.898 3.932 1.00 0.00 N ATOM 906 CA VAL A 57 -1.549 0.050 3.106 1.00 0.00 C ATOM 907 C VAL A 57 -2.411 0.942 4.001 1.00 0.00 C ATOM 908 O VAL A 57 -2.746 2.065 3.626 1.00 0.00 O ATOM 909 CB VAL A 57 -2.360 -0.697 2.046 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.693 0.218 0.865 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.623 -1.953 1.575 1.00 0.00 C ATOM 0 H VAL A 57 -1.110 -1.870 3.826 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.859 0.700 2.569 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.299 -1.011 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.270 -0.338 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.277 1.068 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.769 0.576 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.222 -2.465 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.662 -1.671 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.460 -2.618 2.423 1.00 0.00 H new ATOM 921 N LYS A 58 -2.747 0.409 5.165 1.00 0.00 N ATOM 922 CA LYS A 58 -3.566 1.142 6.117 1.00 0.00 C ATOM 923 C LYS A 58 -2.777 2.346 6.638 1.00 0.00 C ATOM 924 O LYS A 58 -3.248 3.479 6.566 1.00 0.00 O ATOM 925 CB LYS A 58 -4.069 0.211 7.221 1.00 0.00 C ATOM 926 CG LYS A 58 -5.421 0.681 7.761 1.00 0.00 C ATOM 927 CD LYS A 58 -6.513 -0.353 7.480 1.00 0.00 C ATOM 928 CE LYS A 58 -7.643 -0.249 8.507 1.00 0.00 C ATOM 929 NZ LYS A 58 -7.556 -1.356 9.485 1.00 0.00 N ATOM 0 H LYS A 58 -2.467 -0.523 5.472 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.460 1.531 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.161 -0.803 6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.342 0.177 8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.347 0.855 8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.689 1.632 7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.913 -0.202 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.085 -1.355 7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.585 0.708 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.607 -0.278 8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.330 -1.271 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.634 -2.266 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.643 -1.310 9.981 1.00 0.00 H new ATOM 943 N LYS A 59 -1.591 2.058 7.153 1.00 0.00 N ATOM 944 CA LYS A 59 -0.733 3.102 7.687 1.00 0.00 C ATOM 945 C LYS A 59 -0.755 4.306 6.743 1.00 0.00 C ATOM 946 O LYS A 59 -0.654 5.448 7.186 1.00 0.00 O ATOM 947 CB LYS A 59 0.671 2.556 7.955 1.00 0.00 C ATOM 948 CG LYS A 59 1.471 3.512 8.844 1.00 0.00 C ATOM 949 CD LYS A 59 2.956 3.146 8.845 1.00 0.00 C ATOM 950 CE LYS A 59 3.746 4.066 9.779 1.00 0.00 C ATOM 951 NZ LYS A 59 3.408 3.784 11.192 1.00 0.00 N ATOM 0 H LYS A 59 -1.204 1.116 7.212 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.106 3.446 8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.600 1.580 8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.194 2.409 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.345 4.535 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.084 3.478 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.079 2.110 9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.354 3.221 7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.815 3.925 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.524 5.108 9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.109 4.236 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.462 4.161 11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.415 2.756 11.352 1.00 0.00 H new ATOM 965 N LEU A 60 -0.885 4.008 5.459 1.00 0.00 N ATOM 966 CA LEU A 60 -0.921 5.052 4.449 1.00 0.00 C ATOM 967 C LEU A 60 -2.267 5.776 4.518 1.00 0.00 C ATOM 968 O LEU A 60 -2.339 6.917 4.972 1.00 0.00 O ATOM 969 CB LEU A 60 -0.605 4.473 3.068 1.00 0.00 C ATOM 970 CG LEU A 60 0.865 4.506 2.648 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.341 3.121 2.204 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.104 5.566 1.570 1.00 0.00 C ATOM 0 H LEU A 60 -0.967 3.059 5.095 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.148 5.796 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.946 3.438 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.187 5.019 2.325 1.00 0.00 H new ATOM 0 HG LEU A 60 1.461 4.788 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.390 3.173 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.229 2.416 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.744 2.785 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.157 5.568 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.496 5.338 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.829 6.547 1.957 1.00 0.00 H new ATOM 984 N GLU A 61 -3.300 5.084 4.061 1.00 0.00 N ATOM 985 CA GLU A 61 -4.640 5.647 4.065 1.00 0.00 C ATOM 986 C GLU A 61 -4.833 6.544 5.288 1.00 0.00 C ATOM 987 O GLU A 61 -5.255 7.693 5.160 1.00 0.00 O ATOM 988 CB GLU A 61 -5.698 4.543 4.020 1.00 0.00 C ATOM 989 CG GLU A 61 -5.971 4.103 2.581 1.00 0.00 C ATOM 990 CD GLU A 61 -7.399 4.457 2.160 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.319 4.119 2.935 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.537 5.058 1.073 1.00 0.00 O ATOM 0 H GLU A 61 -3.236 4.138 3.685 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.761 6.256 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.362 3.689 4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.621 4.900 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.260 4.584 1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.818 3.028 2.491 1.00 0.00 H new ATOM 999 N GLU A 62 -4.518 5.987 6.448 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.652 6.722 7.694 1.00 0.00 C ATOM 1001 C GLU A 62 -3.849 8.022 7.632 1.00 0.00 C ATOM 1002 O GLU A 62 -4.423 9.109 7.591 1.00 0.00 O ATOM 1003 CB GLU A 62 -4.219 5.866 8.886 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.422 5.469 9.743 1.00 0.00 C ATOM 1005 CD GLU A 62 -5.533 6.362 10.980 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -6.100 7.467 10.834 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -5.048 5.920 12.044 1.00 0.00 O ATOM 0 H GLU A 62 -4.170 5.034 6.551 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.703 6.973 7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.711 4.970 8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.502 6.418 9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.335 5.545 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.327 4.427 10.050 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.533 7.868 7.628 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.645 9.017 7.572 1.00 0.00 C ATOM 1016 C GLU A 63 -2.043 9.940 6.417 1.00 0.00 C ATOM 1017 O GLU A 63 -2.186 11.147 6.604 1.00 0.00 O ATOM 1018 CB GLU A 63 -0.186 8.576 7.442 1.00 0.00 C ATOM 1019 CG GLU A 63 0.715 9.380 8.383 1.00 0.00 C ATOM 1020 CD GLU A 63 1.399 8.464 9.401 1.00 0.00 C ATOM 1021 OE1 GLU A 63 2.422 7.857 9.021 1.00 0.00 O ATOM 1022 OE2 GLU A 63 0.882 8.393 10.537 1.00 0.00 O ATOM 0 H GLU A 63 -2.060 6.965 7.663 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.741 9.572 8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.101 7.514 7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.147 8.708 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.469 9.913 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.123 10.132 8.905 1.00 0.00 H new ATOM 1029 N ILE A 64 -2.212 9.336 5.250 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.590 10.088 4.065 1.00 0.00 C ATOM 1031 C ILE A 64 -3.892 10.842 4.341 1.00 0.00 C ATOM 1032 O ILE A 64 -4.064 11.975 3.894 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.659 9.168 2.846 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.326 8.448 2.626 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -3.106 9.938 1.602 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -1.132 8.093 1.150 1.00 0.00 C ATOM 0 H ILE A 64 -2.094 8.334 5.099 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.832 10.834 3.829 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.411 8.403 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.506 9.083 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.295 7.541 3.229 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.147 9.260 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.094 10.365 1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.396 10.739 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.178 7.582 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.941 7.439 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.139 9.005 0.552 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.776 10.183 5.076 1.00 0.00 N ATOM 1049 CA LYS A 65 -6.058 10.778 5.416 1.00 0.00 C ATOM 1050 C LYS A 65 -5.835 11.934 6.393 1.00 0.00 C ATOM 1051 O LYS A 65 -6.688 12.811 6.527 1.00 0.00 O ATOM 1052 CB LYS A 65 -7.023 9.710 5.936 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.796 9.064 4.785 1.00 0.00 C ATOM 1054 CD LYS A 65 -9.206 8.667 5.228 1.00 0.00 C ATOM 1055 CE LYS A 65 -10.230 9.725 4.809 1.00 0.00 C ATOM 1056 NZ LYS A 65 -11.303 9.112 3.994 1.00 0.00 N ATOM 0 H LYS A 65 -4.630 9.244 5.445 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.532 11.197 4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.467 8.946 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.722 10.159 6.642 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.856 9.759 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.260 8.183 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.472 7.705 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.229 8.542 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.660 10.194 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.736 10.512 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.990 9.843 3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.890 8.685 3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.785 8.377 4.550 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.686 11.898 7.052 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.341 12.932 8.013 1.00 0.00 C ATOM 1072 C LYS A 66 -3.485 13.996 7.325 1.00 0.00 C ATOM 1073 O LYS A 66 -3.530 15.169 7.693 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.682 12.316 9.248 1.00 0.00 C ATOM 1075 CG LYS A 66 -4.306 12.864 10.533 1.00 0.00 C ATOM 1076 CD LYS A 66 -3.242 13.496 11.433 1.00 0.00 C ATOM 1077 CE LYS A 66 -2.918 12.588 12.621 1.00 0.00 C ATOM 1078 NZ LYS A 66 -3.773 12.926 13.780 1.00 0.00 N ATOM 0 H LYS A 66 -3.982 11.169 6.939 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.240 13.431 8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.791 11.232 9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.613 12.529 9.239 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.065 13.606 10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.810 12.059 11.069 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.336 13.682 10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.594 14.462 11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.070 11.545 12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.868 12.696 12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.540 12.300 14.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.608 13.915 14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.773 12.801 13.522 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.724 13.550 6.336 1.00 0.00 N ATOM 1093 CA LEU A 67 -1.858 14.450 5.592 1.00 0.00 C ATOM 1094 C LEU A 67 -2.696 15.585 5.002 1.00 0.00 C ATOM 1095 O LEU A 67 -3.918 15.477 4.913 1.00 0.00 O ATOM 1096 CB LEU A 67 -1.049 13.676 4.550 1.00 0.00 C ATOM 1097 CG LEU A 67 0.201 12.961 5.067 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.592 11.805 4.143 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.352 13.947 5.270 1.00 0.00 C ATOM 0 H LEU A 67 -2.689 12.577 6.032 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.124 14.907 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.702 12.935 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.748 14.369 3.764 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.029 12.531 6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.483 11.313 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.226 11.087 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.798 12.191 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.228 13.413 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.592 14.427 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.058 14.705 5.996 1.00 0.00 H new